Geometry & MOs

Info

ID:	149920
PubChem CID:	53789602
Reduced:	SiN2O2C9H18 (1)
Stoich.:	AB2C2D9E18 (1)
Weight, g/mol:	578.143092
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	0.75
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[4-(dimethylcarbamoyl)phenyl]sulfanylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)[Si](C)(C=C)C(=O)N(C)C

DOS

IR

Vibrations